Structure and Composition of PtPd Model Catalysts under operando Conditions: Experiment and Simulation
(A05)
Subject Area
Theoretical Chemistry: Molecules, Materials, Surfaces
Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
Term
since 2021
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 426888090
The goal of this project is to elucidate active sites and deactivation mechanisms of Pt-Pd, Rh and Ru based model catalysts on Al2O3 and CeO2 substrates with in situ and operando techniques during methane as well as selective catalytic ammonia oxidation at the atomic scale. In the experimental and theoretical approach, most powerful methods such as in situ surface sensitive X-ray dif-fraction and kinetic Monte Carlo simulations based on density functional theory will be combined. The project will highlight the influence of support doping on activity and nanoparticle stability, as well as a comparison of structure – activity relations for steady state and transient light off conditions.
DFG Programme
Collaborative Research Centres